3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole

C20H17N5O — CID 129212399

IUPAC3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c12
InChIInChI=1S/C20H17N5O/c1-10-6-15-17(7-14(10)18-11(2)25-26-12(18)3)24-16-4-5-21-20(19(15)16)13-8-22-23-9-13/h4-9,24H,1-3H3,(H,22,23)
InChIKeyLHYWZBJOJWJTPU-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.69
Rot. Bonds2

About 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole

3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole (PubChem CID 129212399) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole
PubChem CID129212399
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c12
InChIInChI=1S/C20H17N5O/c1-10-6-15-17(7-14(10)18-11(2)25-26-12(18)3)24-16-4-5-21-20(19(15)16)13-8-22-23-9-13/h4-9,24H,1-3H3,(H,22,23)
InChIKeyLHYWZBJOJWJTPU-UHFFFAOYSA-N
XLogP4.69
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole (CID 129212399) is 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c12.
What is the InChIKey of 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole?
The InChIKey is LHYWZBJOJWJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-10-6-15-17(7-14(10)18-11(2)25-26-12(18)3)24-16-4-5-21-20(19(15)16)13-8-22-23-9-13/h4-9,24H,1-3H3,(H,22,23).
What are the key properties of 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole?
3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole has a molecular weight of 343.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[8-methyl-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-1,2-oxazole is sourced from PubChem (CID 129212399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).